PDB ligand accession: 9TP
DrugBank: DB00444
InChI Key: NRUKOCRGYNPUPR-QBPJDGROSA-N
SMILES: COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)OC6C(C(C7C(O6)COC(O7)c8cccs8)O)O)OCO4
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lignans, neolignans and related compounds
- Class: Lignan lactones
- Subclass: Podophyllotoxins
- Class: Lignan lactones
- Superclass: Lignans, neolignans and related compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P11388 | Download | Predicted | P11388_F1_nD3 P11388_F1_nD1 P11388_F1_nD5 P11388_F1_nD4 P11388_F1_nD2 | HAD domain-related ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like a+b domain in type II DNA topoisomerase HTH Ribosomal protein S5 domain 2-like |
1ZXM | Predicted | e1zxmA2 e1zxmB4 e1zxmA1 e1zxmB3 | ||
1ZXN | Predicted | e1zxnC1 e1zxnB4 e1zxnD4 e1zxnA4 e1zxnC2 e1zxnB3 e1zxnD3 e1zxnA3 | ||
4FM9 | Predicted | e4fm9A4 e4fm9A6 e4fm9A1 e4fm9A3 e4fm9A7 | ||
4R1F | Predicted | e4r1fC2 e4r1fD2 e4r1fA2 e4r1fB2 e4r1fC1 e4r1fD1 e4r1fA1 e4r1fB1 | ||
5GWK | Predicted | e5gwkA5 e5gwkB2 e5gwkA1 e5gwkB1 e5gwkA3 e5gwkB4 e5gwkA4 e5gwkB5 e5gwkA2 e5gwkB3 |